[6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C22H28N2O — CID 58211121

IUPAC[6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccc(C(C)(C)C)cc3)n2)CC1
InChIInChI=1S/C22H28N2O/c1-16-12-14-24(15-13-16)21(25)20-7-5-6-19(23-20)17-8-10-18(11-9-17)22(2,3)4/h5-11,16H,12-15H2,1-4H3
InChIKeyUCSUQIDDWHCMCX-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.92
Rot. Bonds2

About [6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 58211121) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is [6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID58211121
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name[6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccc(C(C)(C)C)cc3)n2)CC1
InChIInChI=1S/C22H28N2O/c1-16-12-14-24(15-13-16)21(25)20-7-5-6-19(23-20)17-8-10-18(11-9-17)22(2,3)4/h5-11,16H,12-15H2,1-4H3
InChIKeyUCSUQIDDWHCMCX-UHFFFAOYSA-N
XLogP4.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 58211121) is [6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(-c3ccc(C(C)(C)C)cc3)n2)CC1.
What is the InChIKey of [6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UCSUQIDDWHCMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16-12-14-24(15-13-16)21(25)20-7-5-6-19(23-20)17-8-10-18(11-9-17)22(2,3)4/h5-11,16H,12-15H2,1-4H3.
What are the key properties of [6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 336.48 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 58211121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).